data_nef_c18856_2m1c save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 49 ARG start . . 2 A 50 GLY middle . false 3 A 51 SER middle . . 4 A 52 HIS middle . . 5 A 53 MET middle . . 6 A 54 ARG middle . . 7 A 55 SER middle . . 8 A 56 LEU middle . . 9 A 57 HIS middle . . 10 A 58 LYS middle . . 11 A 59 GLU middle . . 12 A 60 LEU middle . . 13 A 61 GLN middle . . 14 A 62 GLN middle . . 15 A 63 TYR middle . . 16 A 64 ILE middle . . 17 A 65 SER middle . . 18 A 66 ASN middle . . 19 A 67 LEU middle . . 20 A 68 SER middle . . 21 A 69 TYR middle . . 22 A 70 ARG middle . . 23 A 71 VAL middle . . 24 A 72 LYS middle . . 25 A 73 LYS middle . . 26 A 74 VAL middle . . 27 A 75 SER middle . . 28 A 76 GLU middle . . 29 A 77 GLU middle . . 30 A 78 ALA middle . . 31 A 79 LEU middle . . 32 A 80 MET middle . . 33 A 81 GLN middle . . 34 A 82 MET middle . . 35 A 83 PRO middle . false 36 A 84 ILE middle . . 37 A 85 GLY middle . false 38 A 86 ILE middle . . 39 A 87 LEU middle . . 40 A 88 LEU middle . . 41 A 89 LEU middle . . 42 A 90 ASP middle . . 43 A 91 GLU middle . . 44 A 92 GLU middle . . 45 A 93 ASP middle . . 46 A 94 LYS middle . . 47 A 95 ILE middle . . 48 A 96 GLU middle . . 49 A 97 TRP middle . . 50 A 98 SER middle . . 51 A 99 ASN middle . . 52 A 100 ARG middle . . 53 A 101 PHE middle . . 54 A 102 LEU middle . . 55 A 103 ALA middle . . 56 A 104 ALA middle . . 57 A 105 CYS middle . . 58 A 106 PHE middle . . 59 A 107 LYS middle . . 60 A 108 GLU middle . . 61 A 109 GLN middle . . 62 A 110 THR middle . . 63 A 111 LEU middle . . 64 A 112 ILE middle . . 65 A 113 GLY middle . false 66 A 114 ARG middle . . 67 A 115 SER middle . . 68 A 116 LEU middle . . 69 A 117 ALA middle . . 70 A 118 GLU middle . . 71 A 119 LEU middle . . 72 A 120 SER middle . . 73 A 121 GLU middle . . 74 A 122 PRO middle . false 75 A 123 LEU middle . . 76 A 124 ALA middle . . 77 A 125 ALA middle . . 78 A 126 PHE middle . . 79 A 127 VAL middle . . 80 A 128 LYS middle . . 81 A 129 LYS middle . . 82 A 130 GLY middle . false 83 A 131 LYS middle . . 84 A 132 THR middle . . 85 A 133 ASP middle . . 86 A 134 GLU middle . . 87 A 135 GLU middle . . 88 A 136 ILE middle . . 89 A 137 ILE middle . . 90 A 138 GLU middle . . 91 A 139 LEU middle . . 92 A 140 ASN middle . . 93 A 141 GLY middle . false 94 A 142 LYS middle . . 95 A 143 GLN middle . . 96 A 144 LEU middle . . 97 A 145 LYS middle . . 98 A 146 VAL middle . . 99 A 147 ILE middle . . 100 A 148 VAL middle . . 101 A 149 HIS middle . . 102 A 150 ARG middle . . 103 A 151 HIS middle . . 104 A 152 GLU middle . . 105 A 153 ARG middle . . 106 A 154 LEU middle . . 107 A 155 LEU middle . . 108 A 156 TYR middle . . 109 A 157 PHE middle . . 110 A 158 PHE middle . . 111 A 159 ASP middle . . 112 A 160 VAL middle . . 113 A 161 THR end . . 114 B 49 ARG start . . 115 B 50 GLY middle . false 116 B 51 SER middle . . 117 B 52 HIS middle . . 118 B 53 MET middle . . 119 B 54 ARG middle . . 120 B 55 SER middle . . 121 B 56 LEU middle . . 122 B 57 HIS middle . . 123 B 58 LYS middle . . 124 B 59 GLU middle . . 125 B 60 LEU middle . . 126 B 61 GLN middle . . 127 B 62 GLN middle . . 128 B 63 TYR middle . . 129 B 64 ILE middle . . 130 B 65 SER middle . . 131 B 66 ASN middle . . 132 B 67 LEU middle . . 133 B 68 SER middle . . 134 B 69 TYR middle . . 135 B 70 ARG middle . . 136 B 71 VAL middle . . 137 B 72 LYS middle . . 138 B 73 LYS middle . . 139 B 74 VAL middle . . 140 B 75 SER middle . . 141 B 76 GLU middle . . 142 B 77 GLU middle . . 143 B 78 ALA middle . . 144 B 79 LEU middle . . 145 B 80 MET middle . . 146 B 81 GLN middle . . 147 B 82 MET middle . . 148 B 83 PRO middle . false 149 B 84 ILE middle . . 150 B 85 GLY middle . false 151 B 86 ILE middle . . 152 B 87 LEU middle . . 153 B 88 LEU middle . . 154 B 89 LEU middle . . 155 B 90 ASP middle . . 156 B 91 GLU middle . . 157 B 92 GLU middle . . 158 B 93 ASP middle . . 159 B 94 LYS middle . . 160 B 95 ILE middle . . 161 B 96 GLU middle . . 162 B 97 TRP middle . . 163 B 98 SER middle . . 164 B 99 ASN middle . . 165 B 100 ARG middle . . 166 B 101 PHE middle . . 167 B 102 LEU middle . . 168 B 103 ALA middle . . 169 B 104 ALA middle . . 170 B 105 CYS middle . . 171 B 106 PHE middle . . 172 B 107 LYS middle . . 173 B 108 GLU middle . . 174 B 109 GLN middle . . 175 B 110 THR middle . . 176 B 111 LEU middle . . 177 B 112 ILE middle . . 178 B 113 GLY middle . false 179 B 114 ARG middle . . 180 B 115 SER middle . . 181 B 116 LEU middle . . 182 B 117 ALA middle . . 183 B 118 GLU middle . . 184 B 119 LEU middle . . 185 B 120 SER middle . . 186 B 121 GLU middle . . 187 B 122 PRO middle . false 188 B 123 LEU middle . . 189 B 124 ALA middle . . 190 B 125 ALA middle . . 191 B 126 PHE middle . . 192 B 127 VAL middle . . 193 B 128 LYS middle . . 194 B 129 LYS middle . . 195 B 130 GLY middle . false 196 B 131 LYS middle . . 197 B 132 THR middle . . 198 B 133 ASP middle . . 199 B 134 GLU middle . . 200 B 135 GLU middle . . 201 B 136 ILE middle . . 202 B 137 ILE middle . . 203 B 138 GLU middle . . 204 B 139 LEU middle . . 205 B 140 ASN middle . . 206 B 141 GLY middle . false 207 B 142 LYS middle . . 208 B 143 GLN middle . . 209 B 144 LEU middle . . 210 B 145 LYS middle . . 211 B 146 VAL middle . . 212 B 147 ILE middle . . 213 B 148 VAL middle . . 214 B 149 HIS middle . . 215 B 150 ARG middle . . 216 B 151 HIS middle . . 217 B 152 GLU middle . . 218 B 153 ARG middle . . 219 B 154 LEU middle . . 220 B 155 LEU middle . . 221 B 156 TYR middle . . 222 B 157 PHE middle . . 223 B 158 PHE middle . . 224 B 159 ASP middle . . 225 B 160 VAL middle . . 226 B 161 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 50 GLY HAx H 1 3.743 0.02 A 50 GLY HAy H 1 3.743 0.02 A 50 GLY CA C 13 43.203 0.3 A 51 SER HA H 1 4.427 0.02 A 51 SER HBy H 1 3.527 0.02 A 51 SER HBx H 1 3.439 0.02 A 51 SER C C 13 175.03 0.3 A 51 SER CB C 13 65.024 0.3 A 52 HIS H H 1 8.498 0.02 A 52 HIS HA H 1 4.305 0.02 A 52 HIS HBy H 1 3.179 0.02 A 52 HIS HBx H 1 3.079 0.02 A 52 HIS HD2 H 1 6.897 0.02 A 52 HIS HE1 H 1 8.004 0.02 A 52 HIS C C 13 176.938 0.3 A 52 HIS CA C 13 57.753 0.3 A 52 HIS CB C 13 28.572 0.3 A 52 HIS CE1 C 13 134.851 0.3 A 52 HIS N N 15 125.056 0.3 A 53 MET H H 1 8.226 0.02 A 53 MET HA H 1 4.286 0.02 A 53 MET HBx H 1 2.348 0.02 A 53 MET HBy H 1 2.348 0.02 A 53 MET HE% H 1 1.67 0.02 A 53 MET HGx H 1 1.901 0.02 A 53 MET HGy H 1 1.901 0.02 A 53 MET C C 13 174.822 0.3 A 53 MET CA C 13 55.758 0.3 A 53 MET CB C 13 31.84 0.3 A 53 MET CE C 13 17.167 0.3 A 53 MET CG C 13 32.08 0.3 A 53 MET N N 15 116.484 0.3 A 54 ARG H H 1 8.349 0.02 A 54 ARG HA H 1 4.234 0.02 A 54 ARG HBy H 1 1.848 0.02 A 54 ARG HBx H 1 1.758 0.02 A 54 ARG HDx H 1 3.074 0.02 A 54 ARG HDy H 1 3.074 0.02 A 54 ARG HGx H 1 1.57 0.02 A 54 ARG HGy H 1 1.57 0.02 A 54 ARG C C 13 174.282 0.3 A 54 ARG CA C 13 57.079 0.3 A 54 ARG CB C 13 30.277 0.3 A 54 ARG CG C 13 26.849 0.3 A 54 ARG N N 15 121.322 0.3 A 55 SER H H 1 8.28 0.02 A 55 SER HA H 1 4.441 0.02 A 55 SER HBx H 1 3.851 0.02 A 55 SER HBy H 1 3.851 0.02 A 55 SER C C 13 174.716 0.3 A 55 SER CA C 13 59.553 0.3 A 55 SER CB C 13 62.792 0.3 A 55 SER N N 15 116.143 0.3 A 56 LEU H H 1 8.155 0.02 A 56 LEU HA H 1 3.96 0.02 A 56 LEU HBx H 1 1.246 0.02 A 56 LEU HBy H 1 1.246 0.02 A 56 LEU HDx% H 1 0.045 0.02 A 56 LEU HDy% H 1 -0.181 0.02 A 56 LEU HG H 1 0.744 0.02 A 56 LEU C C 13 177.095 0.3 A 56 LEU CA C 13 55.997 0.3 A 56 LEU CB C 13 41.818 0.3 A 56 LEU CDx C 13 23.395 0.3 A 56 LEU CDy C 13 23.724 0.3 A 56 LEU N N 15 121.161 0.3 A 57 HIS H H 1 7.698 0.02 A 57 HIS HA H 1 4.145 0.02 A 57 HIS HBx H 1 3.015 0.02 A 57 HIS HBy H 1 3.015 0.02 A 57 HIS HD2 H 1 6.751 0.02 A 57 HIS HE1 H 1 8.182 0.02 A 57 HIS C C 13 172.709 0.3 A 57 HIS CA C 13 57.696 0.3 A 57 HIS CB C 13 39.435 0.3 A 57 HIS CD2 C 13 115.778 0.3 A 57 HIS CE1 C 13 135.269 0.3 A 57 HIS N N 15 118.884 0.3 A 58 LYS H H 1 8.056 0.02 A 58 LYS HA H 1 4.378 0.02 A 58 LYS HBx H 1 1.84 0.02 A 58 LYS HBy H 1 1.84 0.02 A 58 LYS HEx H 1 2.731 0.02 A 58 LYS HEy H 1 2.731 0.02 A 58 LYS HGx H 1 1.199 0.02 A 58 LYS HGy H 1 1.199 0.02 A 58 LYS C C 13 173.89 0.3 A 58 LYS CA C 13 60.623 0.3 A 58 LYS CB C 13 39.035 0.3 A 58 LYS CG C 13 24.135 0.3 A 58 LYS N N 15 120.881 0.3 A 59 GLU H H 1 7.751 0.02 A 59 GLU HA H 1 3.899 0.02 A 59 GLU HBy H 1 1.841 0.02 A 59 GLU HBx H 1 1.723 0.02 A 59 GLU HGy H 1 1.305 0.02 A 59 GLU HGx H 1 1.22 0.02 A 59 GLU C C 13 173.07 0.3 A 59 GLU CA C 13 58.79 0.3 A 59 GLU CB C 13 31.855 0.3 A 59 GLU N N 15 121.154 0.3 A 60 LEU H H 1 7.678 0.02 A 60 LEU HA H 1 3.741 0.02 A 60 LEU HBy H 1 1.479 0.02 A 60 LEU HBx H 1 1.026 0.02 A 60 LEU HDx% H 1 0.5 0.02 A 60 LEU HDy% H 1 0.43 0.02 A 60 LEU HG H 1 1.001 0.02 A 60 LEU C C 13 173.459 0.3 A 60 LEU CA C 13 57.566 0.3 A 60 LEU CB C 13 41.827 0.3 A 60 LEU CDx C 13 23.081 0.3 A 60 LEU CDy C 13 24.646 0.3 A 60 LEU CG C 13 26.218 0.3 A 60 LEU N N 15 118.394 0.3 A 61 GLN H H 1 8.255 0.02 A 61 GLN HA H 1 3.98 0.02 A 61 GLN HBx H 1 1.964 0.02 A 61 GLN HBy H 1 1.964 0.02 A 61 GLN HE2y H 1 7.438 0.02 A 61 GLN HE2x H 1 6.794 0.02 A 61 GLN HGy H 1 2.215 0.02 A 61 GLN HGx H 1 2.148 0.02 A 61 GLN C C 13 172.372 0.3 A 61 GLN CA C 13 58.873 0.3 A 61 GLN CB C 13 28.095 0.3 A 61 GLN CG C 13 33.435 0.3 A 61 GLN N N 15 117.901 0.3 A 61 GLN NE2 N 15 112.41 0.3 A 62 GLN H H 1 8.368 0.02 A 62 GLN HA H 1 3.931 0.02 A 62 GLN HBy H 1 2.211 0.02 A 62 GLN HBx H 1 2.123 0.02 A 62 GLN HE2y H 1 7.481 0.02 A 62 GLN HE2x H 1 6.874 0.02 A 62 GLN HGy H 1 2.464 0.02 A 62 GLN HGx H 1 2.381 0.02 A 62 GLN C C 13 173.698 0.3 A 62 GLN CA C 13 58.753 0.3 A 62 GLN CB C 13 28.087 0.3 A 62 GLN CG C 13 33.956 0.3 A 62 GLN N N 15 119.649 0.3 A 62 GLN NE2 N 15 112.403 0.3 A 63 TYR H H 1 7.709 0.02 A 63 TYR HA H 1 3.861 0.02 A 63 TYR HBy H 1 3.504 0.02 A 63 TYR HBx H 1 3.026 0.02 A 63 TYR HDy H 1 6.92 0.02 A 63 TYR HEy H 1 6.526 0.02 A 63 TYR C C 13 173.015 0.3 A 63 TYR CA C 13 61.045 0.3 A 63 TYR CB C 13 38.089 0.3 A 63 TYR CDy C 13 130.157 0.3 A 63 TYR CEy C 13 115.162 0.3 A 63 TYR N N 15 121.542 0.3 A 64 ILE H H 1 8.069 0.02 A 64 ILE HA H 1 3.726 0.02 A 64 ILE HB H 1 1.683 0.02 A 64 ILE HD1% H 1 0.496 0.02 A 64 ILE HG1x H 1 1.495 0.02 A 64 ILE HG1y H 1 1.495 0.02 A 64 ILE HG2% H 1 0.694 0.02 A 64 ILE C C 13 173.624 0.3 A 64 ILE CA C 13 61.881 0.3 A 64 ILE CB C 13 37.454 0.3 A 64 ILE CD1 C 13 13.41 0.3 A 64 ILE CG1 C 13 28.49 0.3 A 64 ILE CG2 C 13 17.463 0.3 A 64 ILE N N 15 112.417 0.3 A 65 SER H H 1 7.678 0.02 A 65 SER HA H 1 4.355 0.02 A 65 SER HBx H 1 3.095 0.02 A 65 SER HBy H 1 3.095 0.02 A 65 SER C C 13 172.984 0.3 A 65 SER CA C 13 57.994 0.3 A 65 SER CB C 13 68.024 0.3 A 65 SER N N 15 119.775 0.3 A 66 ASN H H 1 8.316 0.02 A 66 ASN HA H 1 4.046 0.02 A 66 ASN HBy H 1 2.966 0.02 A 66 ASN HBx H 1 2.911 0.02 A 66 ASN HD2y H 1 7.908 0.02 A 66 ASN HD2x H 1 7.044 0.02 A 66 ASN C C 13 174.252 0.3 A 66 ASN CA C 13 59.436 0.3 A 66 ASN CB C 13 38.394 0.3 A 66 ASN N N 15 117.674 0.3 A 66 ASN ND2 N 15 112.755 0.3 A 67 LEU H H 1 8.186 0.02 A 67 LEU HA H 1 3.874 0.02 A 67 LEU HBx H 1 1.658 0.02 A 67 LEU HBy H 1 1.658 0.02 A 67 LEU HDx% H 1 0.335 0.02 A 67 LEU HDy% H 1 -0.236 0.02 A 67 LEU C C 13 173.749 0.3 A 67 LEU CA C 13 55.994 0.3 A 67 LEU CB C 13 42.326 0.3 A 67 LEU CDy C 13 25.28 0.3 A 67 LEU CDx C 13 20.902 0.3 A 67 LEU N N 15 120.897 0.3 A 68 SER H H 1 7.815 0.02 A 68 SER HA H 1 3.821 0.02 A 68 SER HBx H 1 3.229 0.02 A 68 SER HBy H 1 3.229 0.02 A 68 SER C C 13 172.589 0.3 A 68 SER CA C 13 59.259 0.3 A 68 SER CB C 13 64.953 0.3 A 68 SER N N 15 120.2 0.3 A 69 TYR H H 1 8.478 0.02 A 69 TYR HA H 1 3.996 0.02 A 69 TYR HBy H 1 3.228 0.02 A 69 TYR HBx H 1 2.876 0.02 A 69 TYR HDx H 1 6.682 0.02 A 69 TYR HEx H 1 6.865 0.02 A 69 TYR C C 13 173.032 0.3 A 69 TYR CA C 13 61.872 0.3 A 69 TYR CB C 13 37.464 0.3 A 69 TYR CDx C 13 125.781 0.3 A 69 TYR CEx C 13 115.376 0.3 A 69 TYR N N 15 117.648 0.3 A 70 ARG H H 1 7.506 0.02 A 70 ARG HA H 1 3.84 0.02 A 70 ARG HBx H 1 1.816 0.02 A 70 ARG HBy H 1 1.816 0.02 A 70 ARG HDx H 1 1.729 0.02 A 70 ARG HDy H 1 1.729 0.02 A 70 ARG HE H 1 7.182 0.02 A 70 ARG HGx H 1 1.529 0.02 A 70 ARG HGy H 1 1.529 0.02 A 70 ARG C C 13 174.164 0.3 A 70 ARG CA C 13 64.15 0.3 A 70 ARG CB C 13 31.209 0.3 A 70 ARG N N 15 117.406 0.3 A 70 ARG NE N 15 83.674 0.3 A 71 VAL H H 1 7.946 0.02 A 71 VAL HA H 1 4.03 0.02 A 71 VAL HB H 1 1.944 0.02 A 71 VAL HGx% H 1 0.83 0.02 A 71 VAL HGy% H 1 0.713 0.02 A 71 VAL C C 13 173.794 0.3 A 71 VAL CA C 13 59.833 0.3 A 71 VAL CB C 13 31.231 0.3 A 71 VAL CGy C 13 21.837 0.3 A 71 VAL CGx C 13 20.94 0.3 A 71 VAL N N 15 116.493 0.3 A 72 LYS H H 1 8.299 0.02 A 72 LYS HA H 1 4.309 0.02 A 72 LYS HBx H 1 1.669 0.02 A 72 LYS HBy H 1 1.669 0.02 A 72 LYS HEx H 1 3.075 0.02 A 72 LYS HEy H 1 3.075 0.02 A 72 LYS HGx H 1 1.562 0.02 A 72 LYS HGy H 1 1.562 0.02 A 72 LYS C C 13 174.819 0.3 A 72 LYS CA C 13 55.259 0.3 A 72 LYS CB C 13 33.096 0.3 A 72 LYS CG C 13 25.586 0.3 A 72 LYS N N 15 119.695 0.3 A 73 LYS H H 1 9.147 0.02 A 73 LYS HA H 1 4.846 0.02 A 73 LYS HBx H 1 1.534 0.02 A 73 LYS HBy H 1 1.534 0.02 A 73 LYS HDx H 1 1.684 0.02 A 73 LYS HDy H 1 1.684 0.02 A 73 LYS HEx H 1 2.426 0.02 A 73 LYS HEy H 1 2.426 0.02 A 73 LYS HGx H 1 1.207 0.02 A 73 LYS HGy H 1 1.207 0.02 A 73 LYS C C 13 171.875 0.3 A 73 LYS CA C 13 60.911 0.3 A 73 LYS CB C 13 29.155 0.3 A 73 LYS CG C 13 24.964 0.3 A 73 LYS N N 15 123.424 0.3 A 74 VAL H H 1 7.77 0.02 A 74 VAL HA H 1 4.116 0.02 A 74 VAL HB H 1 1.739 0.02 A 74 VAL HGx% H 1 0.844 0.02 A 74 VAL HGy% H 1 0.727 0.02 A 74 VAL C C 13 173.612 0.3 A 74 VAL CA C 13 57.425 0.3 A 74 VAL CB C 13 31.844 0.3 A 74 VAL CGy C 13 21.837 0.3 A 74 VAL CGx C 13 20.899 0.3 A 74 VAL N N 15 121.871 0.3 A 75 SER H H 1 8.122 0.02 A 75 SER HA H 1 3.849 0.02 A 75 SER HBx H 1 3.118 0.02 A 75 SER HBy H 1 3.118 0.02 A 75 SER C C 13 176.27 0.3 A 75 SER CA C 13 64.966 0.3 A 75 SER CB C 13 64.269 0.3 A 75 SER N N 15 116.891 0.3 A 76 GLU H H 1 7.933 0.02 A 76 GLU HA H 1 4.062 0.02 A 76 GLU HBx H 1 1.956 0.02 A 76 GLU HBy H 1 1.956 0.02 A 76 GLU HGy H 1 2.219 0.02 A 76 GLU HGx H 1 2.16 0.02 A 76 GLU C C 13 173.825 0.3 A 76 GLU CA C 13 57.59 0.3 A 76 GLU CB C 13 29.706 0.3 A 76 GLU CG C 13 35.896 0.3 A 76 GLU N N 15 121.522 0.3 A 77 GLU H H 1 7.859 0.02 A 77 GLU HA H 1 4.086 0.02 A 77 GLU HBx H 1 1.984 0.02 A 77 GLU HBy H 1 1.984 0.02 A 77 GLU HGx H 1 2.146 0.02 A 77 GLU HGy H 1 2.146 0.02 A 77 GLU C C 13 174.508 0.3 A 77 GLU CA C 13 57.49 0.3 A 77 GLU CB C 13 29.34 0.3 A 77 GLU CG C 13 36.211 0.3 A 77 GLU N N 15 119.811 0.3 A 78 ALA H H 1 8.205 0.02 A 78 ALA HA H 1 4.179 0.02 A 78 ALA HB% H 1 1.238 0.02 A 78 ALA C C 13 173.519 0.3 A 78 ALA CA C 13 52.664 0.3 A 78 ALA CB C 13 18.387 0.3 A 78 ALA N N 15 124.707 0.3 A 79 LEU H H 1 7.779 0.02 A 79 LEU HA H 1 4.211 0.02 A 79 LEU HBy H 1 1.668 0.02 A 79 LEU HBx H 1 1.536 0.02 A 79 LEU HDx% H 1 0.748 0.02 A 79 LEU HDy% H 1 0.728 0.02 A 79 LEU HG H 1 1.216 0.02 A 79 LEU C C 13 173.511 0.3 A 79 LEU CA C 13 55.181 0.3 A 79 LEU CB C 13 42.68 0.3 A 79 LEU CDy C 13 24.018 0.3 A 79 LEU CDx C 13 23.087 0.3 A 79 LEU CG C 13 26.534 0.3 A 79 LEU N N 15 119.934 0.3 A 80 MET H H 1 8.227 0.02 A 80 MET HA H 1 4.311 0.02 A 80 MET HBx H 1 2.417 0.02 A 80 MET HBy H 1 2.417 0.02 A 80 MET HE% H 1 1.916 0.02 A 80 MET HGx H 1 1.993 0.02 A 80 MET HGy H 1 1.993 0.02 A 80 MET C C 13 175.21 0.3 A 80 MET CA C 13 56.107 0.3 A 80 MET CB C 13 31.836 0.3 A 80 MET CE C 13 16.525 0.3 A 80 MET CG C 13 32.262 0.3 A 80 MET N N 15 118.653 0.3 A 81 GLN H H 1 7.563 0.02 A 81 GLN HA H 1 4.303 0.02 A 81 GLN HBy H 1 1.945 0.02 A 81 GLN HBx H 1 1.787 0.02 A 81 GLN HE2y H 1 7.159 0.02 A 81 GLN HE2x H 1 6.716 0.02 A 81 GLN HGy H 1 2.523 0.02 A 81 GLN HGx H 1 2.22 0.02 A 81 GLN C C 13 177.007 0.3 A 81 GLN CA C 13 54.761 0.3 A 81 GLN CB C 13 30.584 0.3 A 81 GLN CG C 13 33.592 0.3 A 81 GLN N N 15 117.358 0.3 A 81 GLN NE2 N 15 111.638 0.3 A 82 MET H H 1 8.512 0.02 A 82 MET HA H 1 3.803 0.02 A 82 MET HBx H 1 2.45 0.02 A 82 MET HBy H 1 2.45 0.02 A 82 MET HE% H 1 2.004 0.02 A 82 MET HGx H 1 1.905 0.02 A 82 MET HGy H 1 1.905 0.02 A 82 MET C C 13 177.441 0.3 A 82 MET CA C 13 53.413 0.3 A 82 MET CB C 13 31.544 0.3 A 82 MET CE C 13 16.842 0.3 A 82 MET N N 15 120.142 0.3 A 83 PRO HA H 1 4.086 0.02 A 83 PRO HBx H 1 2.546 0.02 A 83 PRO HBy H 1 2.546 0.02 A 83 PRO HDx H 1 3.723 0.02 A 83 PRO HDy H 1 3.723 0.02 A 83 PRO HGx H 1 1.972 0.02 A 83 PRO HGy H 1 1.972 0.02 A 83 PRO C C 13 175.006 0.3 A 83 PRO CA C 13 62.961 0.3 A 83 PRO CB C 13 31.267 0.3 A 83 PRO CD C 13 58.687 0.3 A 83 PRO CG C 13 28.113 0.3 A 84 ILE H H 1 8.482 0.02 A 84 ILE HA H 1 4.314 0.02 A 84 ILE HB H 1 1.815 0.02 A 84 ILE HD1% H 1 0.659 0.02 A 84 ILE HG1y H 1 0.987 0.02 A 84 ILE HG1x H 1 0.857 0.02 A 84 ILE HG2% H 1 0.823 0.02 A 84 ILE C C 13 174.211 0.3 A 84 ILE CA C 13 60.607 0.3 A 84 ILE CB C 13 39.018 0.3 A 84 ILE CD1 C 13 14.652 0.3 A 84 ILE CG1 C 13 26.825 0.3 A 84 ILE CG2 C 13 19.029 0.3 A 84 ILE N N 15 112.416 0.3 A 85 GLY H H 1 7.582 0.02 A 85 GLY HAx H 1 3.564 0.02 A 85 GLY HAy H 1 3.564 0.02 A 85 GLY C C 13 181.257 0.3 A 85 GLY CA C 13 45.769 0.3 A 85 GLY N N 15 105.966 0.3 A 86 ILE H H 1 8.15 0.02 A 86 ILE HA H 1 5.295 0.02 A 86 ILE HB H 1 1.695 0.02 A 86 ILE HD1% H 1 0.778 0.02 A 86 ILE HG1x H 1 1.464 0.02 A 86 ILE HG1y H 1 1.464 0.02 A 86 ILE HG2% H 1 0.902 0.02 A 86 ILE C C 13 178.698 0.3 A 86 ILE CA C 13 59.512 0.3 A 86 ILE CB C 13 42.768 0.3 A 86 ILE CD1 C 13 14.868 0.3 A 86 ILE CG1 C 13 26.835 0.3 A 86 ILE CG2 C 13 17.157 0.3 A 86 ILE N N 15 120.888 0.3 A 87 LEU H H 1 8.756 0.02 A 87 LEU HA H 1 5.04 0.02 A 87 LEU HBy H 1 1.618 0.02 A 87 LEU HBx H 1 1.468 0.02 A 87 LEU HDx% H 1 0.738 0.02 A 87 LEU HDy% H 1 0.734 0.02 A 87 LEU HG H 1 1.315 0.02 A 87 LEU C C 13 176.472 0.3 A 87 LEU CA C 13 53.779 0.3 A 87 LEU CB C 13 46.838 0.3 A 87 LEU CDx C 13 25.576 0.3 A 87 LEU CDy C 13 25.894 0.3 A 87 LEU CG C 13 26.895 0.3 A 87 LEU N N 15 121.854 0.3 A 88 LEU H H 1 8.422 0.02 A 88 LEU HA H 1 5.022 0.02 A 88 LEU HBy H 1 1.888 0.02 A 88 LEU HBx H 1 1.666 0.02 A 88 LEU HDx% H 1 0.831 0.02 A 88 LEU HDy% H 1 0.775 0.02 A 88 LEU HG H 1 1.565 0.02 A 88 LEU C C 13 175.197 0.3 A 88 LEU CA C 13 54.418 0.3 A 88 LEU CB C 13 43.45 0.3 A 88 LEU CDx C 13 25.268 0.3 A 88 LEU CDy C 13 25.602 0.3 A 88 LEU CG C 13 26.238 0.3 A 88 LEU N N 15 123.466 0.3 A 89 LEU H H 1 8.315 0.02 A 89 LEU HA H 1 5.258 0.02 A 89 LEU HBx H 1 1.525 0.02 A 89 LEU HBy H 1 1.525 0.02 A 89 LEU HDx% H 1 0.661 0.02 A 89 LEU HDy% H 1 0.557 0.02 A 89 LEU HG H 1 1.336 0.02 A 89 LEU C C 13 174.441 0.3 A 89 LEU CA C 13 53.112 0.3 A 89 LEU CB C 13 45.278 0.3 A 89 LEU CDy C 13 25.911 0.3 A 89 LEU CDx C 13 24.642 0.3 A 89 LEU CG C 13 27.038 0.3 A 89 LEU N N 15 122.383 0.3 A 90 ASP H H 1 9.038 0.02 A 90 ASP HA H 1 4.74 0.02 A 90 ASP HBy H 1 3.218 0.02 A 90 ASP HBx H 1 2.591 0.02 A 90 ASP C C 13 173.231 0.3 A 90 ASP CA C 13 52.036 0.3 A 90 ASP CB C 13 41.163 0.3 A 90 ASP N N 15 121.697 0.3 A 91 GLU H H 1 8.67 0.02 A 91 GLU HA H 1 3.876 0.02 A 91 GLU HBy H 1 2.065 0.02 A 91 GLU HBx H 1 1.931 0.02 A 91 GLU HGx H 1 2.194 0.02 A 91 GLU HGy H 1 2.194 0.02 A 91 GLU C C 13 174.565 0.3 A 91 GLU CA C 13 58.858 0.3 A 91 GLU CB C 13 29.024 0.3 A 91 GLU CG C 13 36.525 0.3 A 91 GLU N N 15 115.424 0.3 A 92 GLU H H 1 8.432 0.02 A 92 GLU HA H 1 4.333 0.02 A 92 GLU HBy H 1 2.147 0.02 A 92 GLU HBx H 1 1.819 0.02 A 92 GLU HGy H 1 2.08 0.02 A 92 GLU HGx H 1 2.019 0.02 A 92 GLU C C 13 176.392 0.3 A 92 GLU CA C 13 55.129 0.3 A 92 GLU CB C 13 29.653 0.3 A 92 GLU CG C 13 36.51 0.3 A 92 GLU N N 15 120.15 0.3 A 93 ASP H H 1 7.922 0.02 A 93 ASP HA H 1 4.083 0.02 A 93 ASP HBy H 1 2.922 0.02 A 93 ASP HBx H 1 2.835 0.02 A 93 ASP C C 13 177.018 0.3 A 93 ASP CA C 13 56.264 0.3 A 93 ASP CB C 13 38.709 0.3 A 93 ASP N N 15 114.465 0.3 A 94 LYS H H 1 8.51 0.02 A 94 LYS HA H 1 4.355 0.02 A 94 LYS HBx H 1 2.024 0.02 A 94 LYS HBy H 1 2.024 0.02 A 94 LYS HDx H 1 1.596 0.02 A 94 LYS HDy H 1 1.596 0.02 A 94 LYS HEx H 1 2.891 0.02 A 94 LYS HEy H 1 2.891 0.02 A 94 LYS HGx H 1 1.438 0.02 A 94 LYS HGy H 1 1.438 0.02 A 94 LYS C C 13 174.567 0.3 A 94 LYS CA C 13 54.374 0.3 A 94 LYS CB C 13 32.779 0.3 A 94 LYS CD C 13 28.349 0.3 A 94 LYS CG C 13 28.398 0.3 A 94 LYS N N 15 117.646 0.3 A 95 ILE H H 1 8.407 0.02 A 95 ILE HA H 1 4.101 0.02 A 95 ILE HB H 1 2.028 0.02 A 95 ILE HD1% H 1 0.523 0.02 A 95 ILE HG1x H 1 1.428 0.02 A 95 ILE HG1y H 1 1.428 0.02 A 95 ILE HG2% H 1 0.501 0.02 A 95 ILE C C 13 174.382 0.3 A 95 ILE CA C 13 62.804 0.3 A 95 ILE CB C 13 37.148 0.3 A 95 ILE CD1 C 13 14.652 0.3 A 95 ILE CG1 C 13 28.718 0.3 A 95 ILE CG2 C 13 18.711 0.3 A 95 ILE N N 15 120.647 0.3 A 96 GLU H H 1 9.442 0.02 A 96 GLU HA H 1 3.944 0.02 A 96 GLU HBy H 1 2.019 0.02 A 96 GLU HBx H 1 1.965 0.02 A 96 GLU HGx H 1 2.218 0.02 A 96 GLU HGy H 1 2.218 0.02 A 96 GLU C C 13 175.325 0.3 A 96 GLU CA C 13 56.881 0.3 A 96 GLU CB C 13 32.094 0.3 A 96 GLU CG C 13 33.713 0.3 A 96 GLU N N 15 130.214 0.3 A 97 TRP H H 1 7.415 0.02 A 97 TRP HA H 1 4.063 0.02 A 97 TRP HBy H 1 3.275 0.02 A 97 TRP HBx H 1 3.091 0.02 A 97 TRP HD1 H 1 6.537 0.02 A 97 TRP HE1 H 1 9.115 0.02 A 97 TRP HE3 H 1 6.604 0.02 A 97 TRP HH2 H 1 6.78 0.02 A 97 TRP HZ2 H 1 7.09 0.02 A 97 TRP HZ3 H 1 6.885 0.02 A 97 TRP C C 13 177.954 0.3 A 97 TRP CA C 13 61.057 0.3 A 97 TRP CB C 13 33.054 0.3 A 97 TRP CD1 C 13 124.501 0.3 A 97 TRP CE3 C 13 118.334 0.3 A 97 TRP CH2 C 13 119.353 0.3 A 97 TRP CZ2 C 13 111.106 0.3 A 97 TRP CZ3 C 13 116.104 0.3 A 97 TRP N N 15 114.839 0.3 A 97 TRP NE1 N 15 130.042 0.3 A 98 SER H H 1 5.976 0.02 A 98 SER HA H 1 4.277 0.02 A 98 SER HBx H 1 3.726 0.02 A 98 SER HBy H 1 3.726 0.02 A 98 SER C C 13 181.51 0.3 A 98 SER CA C 13 56.58 0.3 A 98 SER CB C 13 67.541 0.3 A 98 SER N N 15 118.307 0.3 A 99 ASN H H 1 7.766 0.02 A 99 ASN HA H 1 4.092 0.02 A 99 ASN HBx H 1 2.322 0.02 A 99 ASN HBy H 1 2.322 0.02 A 99 ASN HD2y H 1 7.388 0.02 A 99 ASN HD2x H 1 6.592 0.02 A 99 ASN C C 13 174.491 0.3 A 99 ASN CA C 13 52.333 0.3 A 99 ASN CB C 13 37.774 0.3 A 99 ASN N N 15 114.631 0.3 A 99 ASN ND2 N 15 111.145 0.3 A 100 ARG H H 1 10.273 0.02 A 100 ARG HA H 1 3.827 0.02 A 100 ARG HBy H 1 1.889 0.02 A 100 ARG HBx H 1 1.795 0.02 A 100 ARG HDx H 1 3.142 0.02 A 100 ARG HDy H 1 3.142 0.02 A 100 ARG HE H 1 7.188 0.02 A 100 ARG HGx H 1 1.656 0.02 A 100 ARG HGy H 1 1.656 0.02 A 100 ARG C C 13 171.987 0.3 A 100 ARG CA C 13 59.612 0.3 A 100 ARG CB C 13 29.643 0.3 A 100 ARG CD C 13 42.667 0.3 A 100 ARG CG C 13 26.85 0.3 A 100 ARG N N 15 126.843 0.3 A 100 ARG NE N 15 84.4 0.3 A 101 PHE H H 1 9.137 0.02 A 101 PHE HA H 1 4.165 0.02 A 101 PHE HBy H 1 3.258 0.02 A 101 PHE HBx H 1 2.582 0.02 A 101 PHE HDx H 1 7.021 0.02 A 101 PHE HDy H 1 7.021 0.02 A 101 PHE HEx H 1 7.055 0.02 A 101 PHE HEy H 1 7.055 0.02 A 101 PHE HZ H 1 6.601 0.02 A 101 PHE C C 13 174.313 0.3 A 101 PHE CA C 13 60.946 0.3 A 101 PHE CB C 13 39.032 0.3 A 101 PHE CDx C 13 128.912 0.3 A 101 PHE CEx C 13 127.979 0.3 A 101 PHE CZ C 13 125.461 0.3 A 101 PHE N N 15 119.149 0.3 A 102 LEU H H 1 6.552 0.02 A 102 LEU HA H 1 3.647 0.02 A 102 LEU HBx H 1 1.284 0.02 A 102 LEU HBy H 1 1.284 0.02 A 102 LEU HDx% H 1 0.145 0.02 A 102 LEU HDy% H 1 0.058 0.02 A 102 LEU HG H 1 1.199 0.02 A 102 LEU C C 13 173.008 0.3 A 102 LEU CA C 13 56.602 0.3 A 102 LEU CB C 13 41.844 0.3 A 102 LEU CDy C 13 25.276 0.3 A 102 LEU CDx C 13 22.774 0.3 A 102 LEU CG C 13 26.161 0.3 A 102 LEU N N 15 116.777 0.3 A 103 ALA H H 1 6.838 0.02 A 103 ALA HA H 1 3.541 0.02 A 103 ALA HB% H 1 0.991 0.02 A 103 ALA C C 13 171.963 0.3 A 103 ALA CA C 13 55.637 0.3 A 103 ALA CB C 13 16.523 0.3 A 103 ALA N N 15 119.639 0.3 A 104 ALA H H 1 7.492 0.02 A 104 ALA HA H 1 3.985 0.02 A 104 ALA HB% H 1 1.24 0.02 A 104 ALA C C 13 169.499 0.3 A 104 ALA CA C 13 54.749 0.3 A 104 ALA CB C 13 17.144 0.3 A 104 ALA N N 15 119.079 0.3 A 105 CYS H H 1 7.487 0.02 A 105 CYS HA H 1 3.701 0.02 A 105 CYS HBy H 1 2.689 0.02 A 105 CYS HBx H 1 2.081 0.02 A 105 CYS C C 13 176.022 0.3 A 105 CYS CA C 13 62.79 0.3 A 105 CYS CB C 13 25.9 0.3 A 105 CYS N N 15 118.504 0.3 A 106 PHE H H 1 7.25 0.02 A 106 PHE HA H 1 4.137 0.02 A 106 PHE HBy H 1 3.239 0.02 A 106 PHE HBx H 1 2.484 0.02 A 106 PHE HDx H 1 7.179 0.02 A 106 PHE HDy H 1 7.179 0.02 A 106 PHE HEx H 1 6.657 0.02 A 106 PHE HEy H 1 6.657 0.02 A 106 PHE HZ H 1 6.79 0.02 A 106 PHE C C 13 177.692 0.3 A 106 PHE CA C 13 58.303 0.3 A 106 PHE CB C 13 39.094 0.3 A 106 PHE CDy C 13 129.826 0.3 A 106 PHE CEy C 13 127.629 0.3 A 106 PHE CZ C 13 127.649 0.3 A 106 PHE N N 15 116.125 0.3 A 107 LYS H H 1 7.779 0.02 A 107 LYS HA H 1 3.722 0.02 A 107 LYS HBy H 1 1.944 0.02 A 107 LYS HBx H 1 1.814 0.02 A 107 LYS HDx H 1 1.523 0.02 A 107 LYS HDy H 1 1.523 0.02 A 107 LYS HEx H 1 2.808 0.02 A 107 LYS HEy H 1 2.808 0.02 A 107 LYS HGx H 1 1.19 0.02 A 107 LYS HGy H 1 1.19 0.02 A 107 LYS C C 13 176.265 0.3 A 107 LYS CA C 13 57.188 0.3 A 107 LYS CB C 13 29.027 0.3 A 107 LYS CD C 13 28.715 0.3 A 107 LYS CG C 13 24.651 0.3 A 107 LYS N N 15 115.617 0.3 A 108 GLU H H 1 7.576 0.02 A 108 GLU HA H 1 4.519 0.02 A 108 GLU HBy H 1 2.00 0.02 A 108 GLU HBx H 1 1.922 0.02 A 108 GLU HGx H 1 2.225 0.02 A 108 GLU HGy H 1 2.225 0.02 A 108 GLU C C 13 175.306 0.3 A 108 GLU CA C 13 53.729 0.3 A 108 GLU CB C 13 32.455 0.3 A 108 GLU CG C 13 33.717 0.3 A 108 GLU N N 15 116.373 0.3 A 109 GLN H H 1 8.737 0.02 A 109 GLN HA H 1 3.975 0.02 A 109 GLN HBy H 1 1.937 0.02 A 109 GLN HBx H 1 1.869 0.02 A 109 GLN HE2y H 1 7.373 0.02 A 109 GLN HE2x H 1 6.676 0.02 A 109 GLN HGy H 1 2.251 0.02 A 109 GLN HGx H 1 2.197 0.02 A 109 GLN C C 13 175.008 0.3 A 109 GLN CA C 13 57.342 0.3 A 109 GLN CB C 13 29.025 0.3 A 109 GLN CG C 13 33.714 0.3 A 109 GLN N N 15 119.09 0.3 A 109 GLN NE2 N 15 111.633 0.3 A 110 THR H H 1 7.635 0.02 A 110 THR HA H 1 4.125 0.02 A 110 THR HB H 1 3.937 0.02 A 110 THR HG2% H 1 0.912 0.02 A 110 THR C C 13 179.886 0.3 A 110 THR CA C 13 59.54 0.3 A 110 THR CB C 13 69.412 0.3 A 110 THR CG2 C 13 19.654 0.3 A 110 THR N N 15 110.698 0.3 A 111 LEU H H 1 8.753 0.02 A 111 LEU HA H 1 4.104 0.02 A 111 LEU HBy H 1 1.263 0.02 A 111 LEU HBx H 1 1.111 0.02 A 111 LEU HDx% H 1 0.325 0.02 A 111 LEU HDy% H 1 0.304 0.02 A 111 LEU HG H 1 1.046 0.02 A 111 LEU C C 13 175.551 0.3 A 111 LEU CA C 13 53.274 0.3 A 111 LEU CB C 13 42.747 0.3 A 111 LEU CDx C 13 22.155 0.3 A 111 LEU CDy C 13 24.354 0.3 A 111 LEU CG C 13 26.254 0.3 A 111 LEU N N 15 123.034 0.3 A 112 ILE H H 1 7.442 0.02 A 112 ILE HA H 1 4.124 0.02 A 112 ILE HB H 1 1.57 0.02 A 112 ILE HD1% H 1 0.856 0.02 A 112 ILE HG1x H 1 1.446 0.02 A 112 ILE HG1y H 1 1.446 0.02 A 112 ILE HG2% H 1 0.864 0.02 A 112 ILE C C 13 174.318 0.3 A 112 ILE CA C 13 64.017 0.3 A 112 ILE CB C 13 36.839 0.3 A 112 ILE CD1 C 13 13.086 0.3 A 112 ILE CG1 C 13 28.091 0.3 A 112 ILE CG2 C 13 17.15 0.3 A 112 ILE N N 15 118.846 0.3 A 113 GLY H H 1 9.116 0.02 A 113 GLY HAy H 1 3.373 0.02 A 113 GLY HAx H 1 3.152 0.02 A 113 GLY C C 13 177.127 0.3 A 113 GLY CA C 13 44.587 0.3 A 113 GLY N N 15 113.909 0.3 A 114 ARG H H 1 7.629 0.02 A 114 ARG HA H 1 4.262 0.02 A 114 ARG HBy H 1 1.634 0.02 A 114 ARG HBx H 1 1.503 0.02 A 114 ARG HDx H 1 2.829 0.02 A 114 ARG HDy H 1 2.829 0.02 A 114 ARG HE H 1 7.314 0.02 A 114 ARG HGy H 1 1.313 0.02 A 114 ARG HGx H 1 1.278 0.02 A 114 ARG HH1x H 1 6.56 0.02 A 114 ARG HH1y H 1 6.56 0.02 A 114 ARG HH2x H 1 6.734 0.02 A 114 ARG HH2y H 1 6.734 0.02 A 114 ARG C C 13 175.263 0.3 A 114 ARG CA C 13 54.219 0.3 A 114 ARG CB C 13 29.346 0.3 A 114 ARG CG C 13 26.825 0.3 A 114 ARG N N 15 118.621 0.3 A 114 ARG NE N 15 83.008 0.3 A 115 SER H H 1 8.714 0.02 A 115 SER HA H 1 4.571 0.02 A 115 SER HBy H 1 3.918 0.02 A 115 SER HBx H 1 3.76 0.02 A 115 SER HG H 1 7.221 0.02 A 115 SER C C 13 175.578 0.3 A 115 SER CA C 13 57.347 0.3 A 115 SER CB C 13 64.319 0.3 A 115 SER N N 15 116.557 0.3 A 116 LEU H H 1 8.438 0.02 A 116 LEU HA H 1 3.764 0.02 A 116 LEU HBx H 1 1.498 0.02 A 116 LEU HBy H 1 1.498 0.02 A 116 LEU HDx% H 1 0.797 0.02 A 116 LEU HDy% H 1 0.735 0.02 A 116 LEU HG H 1 1.596 0.02 A 116 LEU C C 13 173.402 0.3 A 116 LEU CA C 13 58.279 0.3 A 116 LEU CB C 13 41.518 0.3 A 116 LEU CDx C 13 24.336 0.3 A 116 LEU CDy C 13 24.966 0.3 A 116 LEU CG C 13 26.212 0.3 A 116 LEU N N 15 124.17 0.3 A 117 ALA H H 1 8.491 0.02 A 117 ALA HA H 1 3.943 0.02 A 117 ALA HB% H 1 1.216 0.02 A 117 ALA C C 13 173.01 0.3 A 117 ALA CA C 13 54.529 0.3 A 117 ALA CB C 13 17.776 0.3 A 117 ALA N N 15 117.646 0.3 A 118 GLU H H 1 7.185 0.02 A 118 GLU HA H 1 3.914 0.02 A 118 GLU HBy H 1 2.05 0.02 A 118 GLU HBx H 1 1.947 0.02 A 118 GLU HGy H 1 2.279 0.02 A 118 GLU HGx H 1 2.138 0.02 A 118 GLU C C 13 174.071 0.3 A 118 GLU CA C 13 57.642 0.3 A 118 GLU CB C 13 29.664 0.3 A 118 GLU CG C 13 36.827 0.3 A 118 GLU N N 15 114.327 0.3 A 119 LEU H H 1 7.203 0.02 A 119 LEU HA H 1 4.031 0.02 A 119 LEU HBy H 1 1.415 0.02 A 119 LEU HBx H 1 1.158 0.02 A 119 LEU HDx% H 1 0.23 0.02 A 119 LEU HDy% H 1 0.171 0.02 A 119 LEU HG H 1 1.271 0.02 A 119 LEU C C 13 173.633 0.3 A 119 LEU CA C 13 56.088 0.3 A 119 LEU CB C 13 42.156 0.3 A 119 LEU CDx C 13 22.483 0.3 A 119 LEU CDy C 13 25.287 0.3 A 119 LEU CG C 13 26.227 0.3 A 119 LEU N N 15 118.941 0.3 A 120 SER H H 1 8.063 0.02 A 120 SER HA H 1 4.468 0.02 A 120 SER HBy H 1 3.703 0.02 A 120 SER HBx H 1 3.399 0.02 A 120 SER HG H 1 6.328 0.02 A 120 SER C C 13 178.141 0.3 A 120 SER CA C 13 57.183 0.3 A 120 SER CB C 13 62.333 0.3 A 120 SER N N 15 111.498 0.3 A 121 GLU H H 1 9.351 0.02 A 121 GLU HA H 1 4.191 0.02 A 121 GLU HBx H 1 2.087 0.02 A 121 GLU HBy H 1 2.087 0.02 A 121 GLU HGy H 1 2.387 0.02 A 121 GLU HGx H 1 2.227 0.02 A 121 GLU C C 13 174.777 0.3 A 121 GLU CA C 13 61.315 0.3 A 121 GLU CB C 13 26.213 0.3 A 121 GLU CG C 13 36.208 0.3 A 121 GLU N N 15 131.328 0.3 A 122 PRO HA H 1 4.265 0.02 A 122 PRO HBx H 1 2.307 0.02 A 122 PRO HBy H 1 2.307 0.02 A 122 PRO HDx H 1 3.681 0.02 A 122 PRO HDy H 1 3.681 0.02 A 122 PRO HGy H 1 2.041 0.02 A 122 PRO HGx H 1 1.951 0.02 A 122 PRO C C 13 170.954 0.3 A 122 PRO CA C 13 65.955 0.3 A 122 PRO CB C 13 31.211 0.3 A 122 PRO CD C 13 54.349 0.3 A 122 PRO CG C 13 28.077 0.3 A 123 LEU H H 1 7.741 0.02 A 123 LEU HA H 1 4.101 0.02 A 123 LEU HBx H 1 1.845 0.02 A 123 LEU HBy H 1 1.845 0.02 A 123 LEU HDx% H 1 1.00 0.02 A 123 LEU HDy% H 1 0.951 0.02 A 123 LEU HG H 1 1.555 0.02 A 123 LEU C C 13 173.554 0.3 A 123 LEU CA C 13 57.523 0.3 A 123 LEU CB C 13 41.526 0.3 A 123 LEU CDx C 13 23.683 0.3 A 123 LEU CDy C 13 25.621 0.3 A 123 LEU CG C 13 26.523 0.3 A 123 LEU N N 15 119.401 0.3 A 124 ALA H H 1 8.113 0.02 A 124 ALA HA H 1 3.842 0.02 A 124 ALA HB% H 1 1.341 0.02 A 124 ALA C C 13 171.575 0.3 A 124 ALA CA C 13 55.164 0.3 A 124 ALA CB C 13 17.152 0.3 A 124 ALA N N 15 121.144 0.3 A 125 ALA H H 1 8.391 0.02 A 125 ALA HA H 1 4.027 0.02 A 125 ALA HB% H 1 1.39 0.02 A 125 ALA C C 13 171.323 0.3 A 125 ALA CA C 13 55.027 0.3 A 125 ALA CB C 13 17.78 0.3 A 125 ALA N N 15 120.159 0.3 A 126 PHE H H 1 7.898 0.02 A 126 PHE HA H 1 4.35 0.02 A 126 PHE HBy H 1 3.321 0.02 A 126 PHE HBx H 1 3.067 0.02 A 126 PHE HDx H 1 6.974 0.02 A 126 PHE HDy H 1 6.974 0.02 A 126 PHE HEx H 1 6.946 0.02 A 126 PHE HEy H 1 6.946 0.02 A 126 PHE HZ H 1 7.054 0.02 A 126 PHE C C 13 172.34 0.3 A 126 PHE CA C 13 59.688 0.3 A 126 PHE CB C 13 38.529 0.3 A 126 PHE CDy C 13 128.569 0.3 A 126 PHE CEy C 13 128.263 0.3 A 126 PHE CZ C 13 127.039 0.3 A 126 PHE N N 15 120.312 0.3 A 127 VAL H H 1 8.215 0.02 A 127 VAL HA H 1 3.857 0.02 A 127 VAL HB H 1 1.917 0.02 A 127 VAL HGx% H 1 0.83 0.02 A 127 VAL HGy% H 1 0.638 0.02 A 127 VAL C C 13 173.636 0.3 A 127 VAL CA C 13 67.314 0.3 A 127 VAL CB C 13 31.524 0.3 A 127 VAL CGy C 13 24.029 0.3 A 127 VAL CGx C 13 20.897 0.3 A 127 VAL N N 15 121.151 0.3 A 128 LYS H H 1 8.061 0.02 A 128 LYS HA H 1 4.003 0.02 A 128 LYS HBy H 1 1.822 0.02 A 128 LYS HBx H 1 1.734 0.02 A 128 LYS HDx H 1 1.569 0.02 A 128 LYS HDy H 1 1.569 0.02 A 128 LYS HEx H 1 2.856 0.02 A 128 LYS HEy H 1 2.856 0.02 A 128 LYS HGx H 1 1.404 0.02 A 128 LYS HGy H 1 1.404 0.02 A 128 LYS C C 13 173.013 0.3 A 128 LYS CA C 13 58.747 0.3 A 128 LYS CB C 13 32.781 0.3 A 128 LYS CD C 13 28.093 0.3 A 128 LYS CG C 13 24.342 0.3 A 128 LYS N N 15 117.805 0.3 A 129 LYS H H 1 8.309 0.02 A 129 LYS HA H 1 4.409 0.02 A 129 LYS HBy H 1 1.808 0.02 A 129 LYS HBx H 1 1.774 0.02 A 129 LYS HDx H 1 1.582 0.02 A 129 LYS HDy H 1 1.582 0.02 A 129 LYS HEx H 1 2.849 0.02 A 129 LYS HEy H 1 2.849 0.02 A 129 LYS HGx H 1 1.316 0.02 A 129 LYS HGy H 1 1.316 0.02 A 129 LYS C C 13 173.96 0.3 A 129 LYS CA C 13 55.931 0.3 A 129 LYS CB C 13 33.711 0.3 A 129 LYS CD C 13 29.022 0.3 A 129 LYS CG C 13 24.655 0.3 A 129 LYS N N 15 114.806 0.3 A 130 GLY H H 1 7.566 0.02 A 130 GLY HAy H 1 3.972 0.02 A 130 GLY HAx H 1 3.699 0.02 A 130 GLY C C 13 177.883 0.3 A 130 GLY CA C 13 45.951 0.3 A 130 GLY N N 15 108.257 0.3 A 131 LYS H H 1 8.601 0.02 A 131 LYS HA H 1 4.346 0.02 A 131 LYS HBy H 1 1.955 0.02 A 131 LYS HBx H 1 1.688 0.02 A 131 LYS HDy H 1 1.453 0.02 A 131 LYS HDx H 1 1.363 0.02 A 131 LYS HEx H 1 2.862 0.02 A 131 LYS HEy H 1 2.862 0.02 A 131 LYS HGx H 1 1.306 0.02 A 131 LYS HGy H 1 1.306 0.02 A 131 LYS C C 13 174.687 0.3 A 131 LYS CA C 13 55.933 0.3 A 131 LYS CB C 13 33.088 0.3 A 131 LYS CD C 13 24.64 0.3 A 131 LYS CG C 13 24.338 0.3 A 131 LYS N N 15 118.403 0.3 A 132 THR H H 1 7.51 0.02 A 132 THR HA H 1 4.775 0.02 A 132 THR HB H 1 4.543 0.02 A 132 THR HG2% H 1 1.219 0.02 A 132 THR C C 13 177.198 0.3 A 132 THR CA C 13 59.7 0.3 A 132 THR CB C 13 70.737 0.3 A 132 THR CG2 C 13 21.685 0.3 A 132 THR N N 15 109.896 0.3 A 133 ASP H H 1 8.671 0.02 A 133 ASP HA H 1 4.581 0.02 A 133 ASP HBy H 1 3.125 0.02 A 133 ASP HBx H 1 2.685 0.02 A 133 ASP C C 13 176.721 0.3 A 133 ASP CA C 13 54.534 0.3 A 133 ASP CB C 13 41.242 0.3 A 133 ASP N N 15 118.747 0.3 A 134 GLU H H 1 7.44 0.02 A 134 GLU HA H 1 5.786 0.02 A 134 GLU HBx H 1 1.787 0.02 A 134 GLU HBy H 1 1.787 0.02 A 134 GLU HGy H 1 2.006 0.02 A 134 GLU HGx H 1 1.953 0.02 A 134 GLU C C 13 176.579 0.3 A 134 GLU CA C 13 54.056 0.3 A 134 GLU CB C 13 33.717 0.3 A 134 GLU CG C 13 35.588 0.3 A 134 GLU N N 15 117.141 0.3 A 135 GLU H H 1 8.446 0.02 A 135 GLU HA H 1 4.278 0.02 A 135 GLU HBx H 1 0.625 0.02 A 135 GLU HBy H 1 0.625 0.02 A 135 GLU HGy H 1 1.651 0.02 A 135 GLU HGx H 1 1.469 0.02 A 135 GLU C C 13 177.954 0.3 A 135 GLU CA C 13 54.672 0.3 A 135 GLU CB C 13 32.437 0.3 A 135 GLU CG C 13 35.27 0.3 A 135 GLU N N 15 123.978 0.3 A 136 ILE H H 1 8.557 0.02 A 136 ILE HA H 1 4.845 0.02 A 136 ILE HB H 1 1.595 0.02 A 136 ILE HD1% H 1 0.685 0.02 A 136 ILE HG1y H 1 1.408 0.02 A 136 ILE HG1x H 1 0.917 0.02 A 136 ILE HG2% H 1 0.638 0.02 A 136 ILE C C 13 175.277 0.3 A 136 ILE CA C 13 59.666 0.3 A 136 ILE CB C 13 37.779 0.3 A 136 ILE CD1 C 13 11.839 0.3 A 136 ILE CG1 C 13 27.454 0.3 A 136 ILE CG2 C 13 17.153 0.3 A 136 ILE N N 15 123.4 0.3 A 137 ILE H H 1 9.028 0.02 A 137 ILE HA H 1 4.459 0.02 A 137 ILE HB H 1 1.636 0.02 A 137 ILE HD1% H 1 0.658 0.02 A 137 ILE HG1x H 1 1.186 0.02 A 137 ILE HG1y H 1 1.186 0.02 A 137 ILE HG2% H 1 0.631 0.02 A 137 ILE C C 13 178.213 0.3 A 137 ILE CA C 13 58.419 0.3 A 137 ILE CB C 13 41.482 0.3 A 137 ILE CD1 C 13 13.395 0.3 A 137 ILE CG1 C 13 26.526 0.3 A 137 ILE CG2 C 13 16.835 0.3 A 137 ILE N N 15 124.147 0.3 A 138 GLU H H 1 8.17 0.02 A 138 GLU HA H 1 4.842 0.02 A 138 GLU HBy H 1 1.788 0.02 A 138 GLU HBx H 1 1.708 0.02 A 138 GLU HGy H 1 1.934 0.02 A 138 GLU HGx H 1 1.767 0.02 A 138 GLU C C 13 175.886 0.3 A 138 GLU CA C 13 54.813 0.3 A 138 GLU CB C 13 30.593 0.3 A 138 GLU CG C 13 36.21 0.3 A 138 GLU N N 15 123.131 0.3 A 139 LEU H H 1 8.78 0.02 A 139 LEU HA H 1 4.475 0.02 A 139 LEU HBy H 1 1.2 0.02 A 139 LEU HBx H 1 1.048 0.02 A 139 LEU HDx% H 1 0.425 0.02 A 139 LEU HDy% H 1 0.16 0.02 A 139 LEU HG H 1 1.076 0.02 A 139 LEU C C 13 175.572 0.3 A 139 LEU CA C 13 53.436 0.3 A 139 LEU CB C 13 44.018 0.3 A 139 LEU CDx C 13 24.326 0.3 A 139 LEU CDy C 13 24.34 0.3 A 139 LEU CG C 13 26.507 0.3 A 139 LEU N N 15 127.065 0.3 A 140 ASN H H 1 9.402 0.02 A 140 ASN HA H 1 4.211 0.02 A 140 ASN HBy H 1 2.774 0.02 A 140 ASN HBx H 1 2.441 0.02 A 140 ASN HD2y H 1 7.218 0.02 A 140 ASN HD2x H 1 6.879 0.02 A 140 ASN C C 13 176.196 0.3 A 140 ASN CA C 13 53.93 0.3 A 140 ASN CB C 13 37.465 0.3 A 140 ASN N N 15 124.873 0.3 A 140 ASN ND2 N 15 112.65 0.3 A 141 GLY H H 1 8.627 0.02 A 141 GLY HAy H 1 4.026 0.02 A 141 GLY HAx H 1 3.472 0.02 A 141 GLY C C 13 177.768 0.3 A 141 GLY CA C 13 45.15 0.3 A 141 GLY N N 15 103.812 0.3 A 142 LYS H H 1 7.646 0.02 A 142 LYS HA H 1 4.53 0.02 A 142 LYS HBy H 1 1.699 0.02 A 142 LYS HBx H 1 1.595 0.02 A 142 LYS HDx H 1 1.608 0.02 A 142 LYS HDy H 1 1.608 0.02 A 142 LYS HEx H 1 2.877 0.02 A 142 LYS HEy H 1 2.877 0.02 A 142 LYS HGx H 1 1.292 0.02 A 142 LYS HGy H 1 1.292 0.02 A 142 LYS C C 13 176.264 0.3 A 142 LYS CA C 13 54.161 0.3 A 142 LYS CB C 13 34.334 0.3 A 142 LYS CD C 13 28.715 0.3 A 142 LYS CG C 13 24.339 0.3 A 142 LYS N N 15 121.425 0.3 A 143 GLN H H 1 8.588 0.02 A 143 GLN HA H 1 4.591 0.02 A 143 GLN HBy H 1 1.838 0.02 A 143 GLN HBx H 1 1.684 0.02 A 143 GLN HE2y H 1 7.381 0.02 A 143 GLN HE2x H 1 6.594 0.02 A 143 GLN HGy H 1 2.263 0.02 A 143 GLN HGx H 1 2.039 0.02 A 143 GLN C C 13 176.634 0.3 A 143 GLN CA C 13 55.477 0.3 A 143 GLN CB C 13 29.327 0.3 A 143 GLN CG C 13 33.716 0.3 A 143 GLN N N 15 122.931 0.3 A 143 GLN NE2 N 15 110.901 0.3 A 144 LEU H H 1 8.836 0.02 A 144 LEU HA H 1 5.07 0.02 A 144 LEU HBx H 1 1.36 0.02 A 144 LEU HBy H 1 1.36 0.02 A 144 LEU HDx% H 1 0.827 0.02 A 144 LEU HDy% H 1 0.706 0.02 A 144 LEU HG H 1 1.567 0.02 A 144 LEU C C 13 176.567 0.3 A 144 LEU CA C 13 53.111 0.3 A 144 LEU CB C 13 45.299 0.3 A 144 LEU CDx C 13 24.316 0.3 A 144 LEU CDy C 13 26.826 0.3 A 144 LEU CG C 13 26.528 0.3 A 144 LEU N N 15 123.047 0.3 A 145 LYS H H 1 8.948 0.02 A 145 LYS HA H 1 4.711 0.02 A 145 LYS HBx H 1 1.524 0.02 A 145 LYS HBy H 1 1.524 0.02 A 145 LYS HDx H 1 1.41 0.02 A 145 LYS HDy H 1 1.41 0.02 A 145 LYS HEx H 1 2.651 0.02 A 145 LYS HEy H 1 2.651 0.02 A 145 LYS HGx H 1 1.379 0.02 A 145 LYS HGy H 1 1.379 0.02 A 145 LYS C C 13 176.739 0.3 A 145 LYS CA C 13 55.061 0.3 A 145 LYS CB C 13 33.769 0.3 A 145 LYS CD C 13 29.019 0.3 A 145 LYS CG C 13 28.703 0.3 A 145 LYS N N 15 122.967 0.3 A 146 VAL H H 1 9.156 0.02 A 146 VAL HA H 1 4.935 0.02 A 146 VAL HB H 1 1.521 0.02 A 146 VAL HGx% H 1 0.357 0.02 A 146 VAL HGy% H 1 0.304 0.02 A 146 VAL C C 13 176.764 0.3 A 146 VAL CA C 13 59.242 0.3 A 146 VAL CB C 13 33.412 0.3 A 146 VAL CGy C 13 21.52 0.3 A 146 VAL CGx C 13 21.215 0.3 A 146 VAL N N 15 127.949 0.3 A 147 ILE H H 1 8.716 0.02 A 147 ILE HA H 1 5.145 0.02 A 147 ILE HB H 1 1.786 0.02 A 147 ILE HD1% H 1 0.701 0.02 A 147 ILE HG1y H 1 1.529 0.02 A 147 ILE HG1x H 1 1.135 0.02 A 147 ILE HG2% H 1 0.782 0.02 A 147 ILE C C 13 175.859 0.3 A 147 ILE CA C 13 59.507 0.3 A 147 ILE CB C 13 40.885 0.3 A 147 ILE CD1 C 13 13.083 0.3 A 147 ILE CG1 C 13 27.772 0.3 A 147 ILE CG2 C 13 16.838 0.3 A 147 ILE N N 15 124.038 0.3 A 148 VAL H H 1 8.896 0.02 A 148 VAL HA H 1 4.847 0.02 A 148 VAL HB H 1 1.669 0.02 A 148 VAL HGx% H 1 0.69 0.02 A 148 VAL HGy% H 1 0.659 0.02 A 148 VAL C C 13 178.007 0.3 A 148 VAL CA C 13 58.433 0.3 A 148 VAL CB C 13 34.657 0.3 A 148 VAL CGy C 13 22.173 0.3 A 148 VAL CGx C 13 20.279 0.3 A 148 VAL N N 15 124.782 0.3 A 149 HIS H H 1 8.772 0.02 A 149 HIS HA H 1 4.544 0.02 A 149 HIS HBy H 1 3.094 0.02 A 149 HIS HBx H 1 2.994 0.02 A 149 HIS HD2 H 1 6.943 0.02 A 149 HIS HE1 H 1 7.653 0.02 A 149 HIS C C 13 175.703 0.3 A 149 HIS CA C 13 54.595 0.3 A 149 HIS CB C 13 30.27 0.3 A 149 HIS CD2 C 13 116.724 0.3 A 149 HIS CE1 C 13 135.781 0.3 A 149 HIS N N 15 126.936 0.3 A 150 ARG H H 1 8.355 0.02 A 150 ARG HA H 1 4.284 0.02 A 150 ARG HBy H 1 2.434 0.02 A 150 ARG HBx H 1 2.302 0.02 A 150 ARG HDx H 1 3.068 0.02 A 150 ARG HDy H 1 3.068 0.02 A 150 ARG HE H 1 7.086 0.02 A 150 ARG HGx H 1 1.7 0.02 A 150 ARG HGy H 1 1.7 0.02 A 150 ARG HH1x H 1 6.449 0.02 A 150 ARG HH1y H 1 6.449 0.02 A 150 ARG HH2x H 1 6.698 0.02 A 150 ARG HH2y H 1 6.698 0.02 A 150 ARG C C 13 174.935 0.3 A 150 ARG CA C 13 55.626 0.3 A 150 ARG CB C 13 30.27 0.3 A 150 ARG CD C 13 43.025 0.3 A 150 ARG CG C 13 27.142 0.3 A 150 ARG N N 15 120.892 0.3 A 150 ARG NE N 15 85.321 0.3 A 151 HIS H H 1 8.00 0.02 A 151 HIS HA H 1 4.156 0.02 A 151 HIS HBy H 1 3.165 0.02 A 151 HIS HBx H 1 3.052 0.02 A 151 HIS HD2 H 1 7.073 0.02 A 151 HIS HE1 H 1 7.834 0.02 A 151 HIS C C 13 173.887 0.3 A 151 HIS CA C 13 60.434 0.3 A 151 HIS CB C 13 37.774 0.3 A 151 HIS CD2 C 13 116.734 0.3 A 151 HIS CE1 C 13 135.167 0.3 A 151 HIS N N 15 120.898 0.3 A 152 GLU H H 1 7.61 0.02 A 152 GLU HA H 1 3.729 0.02 A 152 GLU HBx H 1 1.707 0.02 A 152 GLU HBy H 1 1.707 0.02 A 152 GLU HGx H 1 1.976 0.02 A 152 GLU HGy H 1 1.976 0.02 A 152 GLU C C 13 174.812 0.3 A 152 GLU CA C 13 58.915 0.3 A 152 GLU CB C 13 28.352 0.3 A 152 GLU CG C 13 33.506 0.3 A 152 GLU N N 15 117.568 0.3 A 153 ARG H H 1 7.623 0.02 A 153 ARG HA H 1 4.217 0.02 A 153 ARG HBy H 1 1.883 0.02 A 153 ARG HBx H 1 1.787 0.02 A 153 ARG HDx H 1 3.093 0.02 A 153 ARG HDy H 1 3.093 0.02 A 153 ARG HE H 1 7.08 0.02 A 153 ARG HGy H 1 1.569 0.02 A 153 ARG HGx H 1 1.391 0.02 A 153 ARG C C 13 177.12 0.3 A 153 ARG CA C 13 57.048 0.3 A 153 ARG CB C 13 29.518 0.3 A 153 ARG CD C 13 43.088 0.3 A 153 ARG CG C 13 26.913 0.3 A 153 ARG N N 15 115.866 0.3 A 153 ARG NE N 15 83.693 0.3 A 154 LEU H H 1 7.842 0.02 A 154 LEU HA H 1 3.546 0.02 A 154 LEU HBy H 1 1.391 0.02 A 154 LEU HBx H 1 1.347 0.02 A 154 LEU HDx% H 1 0.734 0.02 A 154 LEU HDy% H 1 0.719 0.02 A 154 LEU HG H 1 1.283 0.02 A 154 LEU C C 13 178.007 0.3 A 154 LEU CA C 13 56.701 0.3 A 154 LEU CB C 13 47.152 0.3 A 154 LEU CDx C 13 22.778 0.3 A 154 LEU CDy C 13 24.965 0.3 A 154 LEU CG C 13 27.159 0.3 A 154 LEU N N 15 117.943 0.3 A 155 LEU H H 1 7.385 0.02 A 155 LEU HA H 1 5.133 0.02 A 155 LEU HBy H 1 1.373 0.02 A 155 LEU HBx H 1 1.342 0.02 A 155 LEU HDx% H 1 0.573 0.02 A 155 LEU HDy% H 1 0.477 0.02 A 155 LEU HG H 1 1.35 0.02 A 155 LEU C C 13 177.004 0.3 A 155 LEU CA C 13 53.869 0.3 A 155 LEU CB C 13 46.823 0.3 A 155 LEU CDx C 13 25.577 0.3 A 155 LEU CDy C 13 25.59 0.3 A 155 LEU CG C 13 26.838 0.3 A 155 LEU N N 15 118.156 0.3 A 156 TYR H H 1 8.896 0.02 A 156 TYR HA H 1 5.161 0.02 A 156 TYR HBy H 1 3.134 0.02 A 156 TYR HBx H 1 3.044 0.02 A 156 TYR HDx H 1 7.052 0.02 A 156 TYR HDy H 1 7.052 0.02 A 156 TYR HEx H 1 6.726 0.02 A 156 TYR HEy H 1 6.726 0.02 A 156 TYR C C 13 176.637 0.3 A 156 TYR CA C 13 54.636 0.3 A 156 TYR CB C 13 45.501 0.3 A 156 TYR CDx C 13 130.479 0.3 A 156 TYR CEx C 13 115.15 0.3 A 156 TYR N N 15 123.796 0.3 A 157 PHE H H 1 8.99 0.02 A 157 PHE HA H 1 5.414 0.02 A 157 PHE HBy H 1 2.85 0.02 A 157 PHE HBx H 1 2.625 0.02 A 157 PHE HDx H 1 6.925 0.02 A 157 PHE HDy H 1 6.925 0.02 A 157 PHE HEx H 1 6.869 0.02 A 157 PHE HEy H 1 6.869 0.02 A 157 PHE HZ H 1 6.901 0.02 A 157 PHE C C 13 176.637 0.3 A 157 PHE CA C 13 55.599 0.3 A 157 PHE CB C 13 42.288 0.3 A 157 PHE CDx C 13 129.218 0.3 A 157 PHE CEx C 13 129.227 0.3 A 157 PHE CZ C 13 125.225 0.3 A 157 PHE N N 15 119.284 0.3 A 158 PHE H H 1 9.834 0.02 A 158 PHE HA H 1 4.816 0.02 A 158 PHE HBy H 1 3.224 0.02 A 158 PHE HBx H 1 2.577 0.02 A 158 PHE HDx H 1 7.067 0.02 A 158 PHE HDy H 1 7.067 0.02 A 158 PHE HEx H 1 7.052 0.02 A 158 PHE HEy H 1 7.052 0.02 A 158 PHE HZ H 1 7.04 0.02 A 158 PHE C C 13 176.52 0.3 A 158 PHE CA C 13 56.546 0.3 A 158 PHE CB C 13 42.288 0.3 A 158 PHE CDx C 13 129.233 0.3 A 158 PHE CEx C 13 128.601 0.3 A 158 PHE CZ C 13 126.051 0.3 A 158 PHE N N 15 120.293 0.3 A 159 ASP H H 1 8.687 0.02 A 159 ASP HA H 1 4.823 0.02 A 159 ASP HBy H 1 2.716 0.02 A 159 ASP HBx H 1 2.409 0.02 A 159 ASP C C 13 174.629 0.3 A 159 ASP CA C 13 54.865 0.3 A 159 ASP CB C 13 41.212 0.3 A 159 ASP N N 15 121.388 0.3 A 160 VAL H H 1 8.366 0.02 A 160 VAL HA H 1 4.18 0.02 A 160 VAL HB H 1 2.069 0.02 A 160 VAL HGx% H 1 0.796 0.02 A 160 VAL HGy% H 1 0.758 0.02 A 160 VAL C C 13 175.962 0.3 A 160 VAL CA C 13 62.061 0.3 A 160 VAL CB C 13 32.154 0.3 A 160 VAL CGy C 13 21.525 0.3 A 160 VAL CGx C 13 20.593 0.3 A 160 VAL N N 15 120.402 0.3 A 161 THR H H 1 7.824 0.02 A 161 THR HA H 1 4.697 0.02 A 161 THR HB H 1 4.073 0.02 A 161 THR HG2% H 1 1.098 0.02 A 161 THR C C 13 172.087 0.3 A 161 THR CA C 13 64.023 0.3 A 161 THR CB C 13 70.214 0.3 A 161 THR CG2 C 13 21.839 0.3 A 161 THR N N 15 123.509 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 52 HIS O B 55 SER H 1.0 . 1.0 2 2 B 52 HIS O B 55 SER N 1.0 . 2.0 3 3 B 52 HIS O B 56 LEU H 1.0 . 1.0 4 4 B 52 HIS O B 56 LEU N 1.0 . 2.0 5 5 B 58 LYS O B 61 GLN H 1.0 . 1.0 6 6 B 58 LYS O B 61 GLN N 1.0 . 2.0 7 7 B 58 LYS O B 62 GLN H 1.0 . 1.0 8 8 B 58 LYS O B 62 GLN N 1.0 . 2.0 9 9 B 62 GLN H B 59 GLU O 1.0 . 1.0 10 10 B 62 GLN N B 59 GLU O 1.0 . 2.0 11 11 B 59 GLU O B 63 TYR H 1.0 . 1.0 12 12 B 59 GLU O B 63 TYR N 1.0 . 2.0 13 13 B 63 TYR H B 60 LEU O 1.0 . 1.0 14 14 B 63 TYR N B 60 LEU O 1.0 . 2.0 15 15 B 100 ARG O B 103 ALA H 1.0 . 1.0 16 16 B 100 ARG O B 103 ALA N 1.0 . 2.0 17 17 B 100 ARG O B 104 ALA H 1.0 . 1.0 18 18 B 100 ARG O B 104 ALA N 1.0 . 2.0 19 19 B 104 ALA H B 101 PHE O 1.0 . 1.0 20 20 B 104 ALA N B 101 PHE O 1.0 . 2.0 21 21 B 101 PHE O B 105 CYS H 1.0 . 1.0 22 22 B 101 PHE O B 105 CYS N 1.0 . 2.0 23 23 B 105 CYS H B 102 LEU O 1.0 . 1.0 24 24 B 105 CYS N B 102 LEU O 1.0 . 2.0 25 25 B 103 ALA O B 106 PHE H 1.0 . 1.0 26 26 B 103 ALA O B 106 PHE N 1.0 . 2.0 27 27 B 116 LEU O B 119 LEU H 1.0 . 1.0 28 28 B 116 LEU O B 119 LEU N 1.0 . 2.0 29 29 B 121 GLU O B 124 ALA H 1.0 . 1.0 30 30 B 121 GLU O B 124 ALA N 1.0 . 2.0 31 31 B 121 GLU O B 125 ALA H 1.0 . 1.0 32 32 B 121 GLU O B 125 ALA N 1.0 . 2.0 33 33 B 125 ALA H B 122 PRO O 1.0 . 1.0 34 34 B 125 ALA N B 122 PRO O 1.0 . 2.0 35 35 B 122 PRO O B 126 PHE H 1.0 . 1.0 36 36 B 122 PRO O B 126 PHE N 1.0 . 2.0 37 37 B 126 PHE H B 123 LEU O 1.0 . 1.0 38 38 B 126 PHE N B 123 LEU O 1.0 . 2.0 39 39 B 123 LEU O B 127 VAL H 1.0 . 1.0 40 40 B 123 LEU O B 127 VAL N 1.0 . 2.0 41 41 B 127 VAL H B 124 ALA O 1.0 . 1.0 42 42 B 127 VAL N B 124 ALA O 1.0 . 2.0 43 43 B 124 ALA O B 128 LYS H 1.0 . 1.0 44 44 B 124 ALA O B 128 LYS N 1.0 . 2.0 45 45 B 128 LYS H B 125 ALA O 1.0 . 1.0 46 46 B 128 LYS N B 125 ALA O 1.0 . 2.0 47 47 B 125 ALA O B 129 LYS H 1.0 . 1.0 48 48 B 125 ALA O B 129 LYS N 1.0 . 2.0 49 49 B 86 ILE H B 99 ASN H 1.0 . 2.5 50 50 B 86 ILE H B 99 ASN O 1.0 . 1.7 51 51 B 99 ASN O B 86 ILE N 1.0 . 2.7 52 52 B 99 ASN H B 86 ILE O 1.0 . 1.7 53 53 B 86 ILE O B 99 ASN N 1.0 . 2.7 54 54 B 87 LEU HA B 98 SER HA 1.0 . 2.1 55 55 B 88 LEU H B 97 TRP H 1.0 . 2.9 56 56 B 88 LEU H B 97 TRP O 1.0 . 1.7 57 57 B 97 TRP O B 88 LEU N 1.0 . 2.7 58 58 B 97 TRP H B 88 LEU O 1.0 . 1.7 59 59 B 88 LEU O B 97 TRP N 1.0 . 2.7 60 60 B 90 ASP H B 94 LYS H 1.0 . 2.9 61 61 B 90 ASP H B 94 LYS O 1.0 . 1.7 62 62 B 94 LYS O B 90 ASP N 1.0 . 2.7 63 63 B 90 ASP H B 96 GLU H 1.0 . 2.0 64 64 B 133 ASP H B 148 VAL H 1.0 . 2.0 65 65 B 134 GLU HA B 147 ILE HA 1.0 . 2.1 66 66 B 135 GLU H B 146 VAL H 1.0 . 2.9 67 67 B 135 GLU H B 146 VAL O 1.0 . 1.7 68 68 B 146 VAL O B 135 GLU N 1.0 . 2.7 69 69 B 146 VAL H B 135 GLU O 1.0 . 1.7 70 70 B 135 GLU O B 146 VAL N 1.0 . 2.7 71 71 B 136 ILE HA B 145 LYS HA 1.0 . 2.1 72 72 B 137 ILE H B 144 LEU H 1.0 . 2.9 73 73 B 137 ILE H B 144 LEU O 1.0 . 1.7 74 74 B 144 LEU O B 137 ILE N 1.0 . 2.7 75 75 B 144 LEU H B 137 ILE O 1.0 . 1.7 76 76 B 137 ILE O B 144 LEU N 1.0 . 2.7 77 77 B 138 GLU HA B 143 GLN HA 1.0 . 2.1 78 78 B 139 LEU H B 142 LYS H 1.0 . 2.9 79 79 B 139 LEU H B 142 LYS O 1.0 . 1.7 80 80 B 142 LYS O B 139 LEU N 1.0 . 2.7 81 81 B 142 LYS H B 139 LEU O 1.0 . 1.7 82 82 B 139 LEU O B 142 LYS N 1.0 . 2.7 83 83 B 143 GLN H B 160 VAL H 1.0 . 2.9 84 84 B 143 GLN H B 160 VAL O 1.0 . 1.7 85 85 B 160 VAL O B 143 GLN N 1.0 . 2.7 86 86 B 160 VAL H B 143 GLN O 1.0 . 1.7 87 87 B 143 GLN O B 160 VAL N 1.0 . 2.7 88 88 B 144 LEU H B 160 VAL H 1.0 . 2.0 89 89 B 144 LEU HA B 159 ASP HA 1.0 . 2.1 90 90 B 145 LYS H B 158 PHE H 1.0 . 2.9 91 91 B 145 LYS H B 158 PHE O 1.0 . 1.7 92 92 B 158 PHE O B 145 LYS N 1.0 . 2.7 93 93 B 158 PHE H B 145 LYS O 1.0 . 1.7 94 94 B 145 LYS O B 158 PHE N 1.0 . 2.7 95 95 B 146 VAL HA B 157 PHE HA 1.0 . 2.1 96 96 B 147 ILE H B 156 TYR H 1.0 . 2.9 97 97 B 147 ILE H B 156 TYR O 1.0 . 1.7 98 98 B 156 TYR O B 147 ILE N 1.0 . 2.7 99 99 B 156 TYR H B 147 ILE O 1.0 . 1.7 100 100 B 147 ILE O B 156 TYR N 1.0 . 2.7 101 101 B 148 VAL HA B 155 LEU HA 1.0 . 2.1 102 102 B 149 HIS H B 155 LEU H 1.0 . 2.0 103 103 B 156 TYR HA B 88 LEU HA 1.0 . 2.0 104 104 B 157 PHE H B 87 LEU H 1.0 . 2.9 105 105 B 157 PHE H B 87 LEU O 1.0 . 1.7 106 106 B 87 LEU O B 157 PHE N 1.0 . 2.7 107 107 B 87 LEU H B 157 PHE O 1.0 . 1.7 108 108 B 157 PHE O B 87 LEU N 1.0 . 2.7 109 109 B 158 PHE HA B 86 ILE HA 1.0 . 2.0 110 110 B 159 ASP H B 84 ILE H 1.0 . 2.0 111 111 B 52 HIS O B 55 SER H 1.0 . 3.0 112 112 B 52 HIS O B 55 SER N 1.0 . 4.0 113 113 B 52 HIS O B 56 LEU H 1.0 . 3.0 114 114 B 52 HIS O B 56 LEU N 1.0 . 4.0 115 115 B 58 LYS O B 61 GLN H 1.0 . 3.0 116 116 B 58 LYS O B 61 GLN N 1.0 . 4.0 117 117 B 58 LYS O B 62 GLN H 1.0 . 3.0 118 118 B 58 LYS O B 62 GLN N 1.0 . 4.0 119 119 B 62 GLN H B 59 GLU O 1.0 . 3.0 120 120 B 62 GLN N B 59 GLU O 1.0 . 4.0 121 121 B 59 GLU O B 63 TYR H 1.0 . 3.0 122 122 B 59 GLU O B 63 TYR N 1.0 . 4.0 123 123 B 63 TYR H B 60 LEU O 1.0 . 3.0 124 124 B 63 TYR N B 60 LEU O 1.0 . 4.0 125 125 B 100 ARG O B 103 ALA H 1.0 . 3.0 126 126 B 100 ARG O B 103 ALA N 1.0 . 4.0 127 127 B 100 ARG O B 104 ALA H 1.0 . 3.0 128 128 B 100 ARG O B 104 ALA N 1.0 . 4.0 129 129 B 104 ALA H B 101 PHE O 1.0 . 3.0 130 130 B 104 ALA N B 101 PHE O 1.0 . 4.0 131 131 B 101 PHE O B 105 CYS H 1.0 . 3.0 132 132 B 101 PHE O B 105 CYS N 1.0 . 4.0 133 133 B 105 CYS H B 102 LEU O 1.0 . 3.0 134 134 B 105 CYS N B 102 LEU O 1.0 . 4.0 135 135 B 103 ALA O B 106 PHE H 1.0 . 3.0 136 136 B 103 ALA O B 106 PHE N 1.0 . 4.0 137 137 B 116 LEU O B 119 LEU H 1.0 . 3.0 138 138 B 116 LEU O B 119 LEU N 1.0 . 4.0 139 139 B 121 GLU O B 124 ALA H 1.0 . 3.0 140 140 B 121 GLU O B 124 ALA N 1.0 . 4.0 141 141 B 121 GLU O B 125 ALA H 1.0 . 3.0 142 142 B 121 GLU O B 125 ALA N 1.0 . 4.0 143 143 B 125 ALA H B 122 PRO O 1.0 . 3.0 144 144 B 125 ALA N B 122 PRO O 1.0 . 4.0 145 145 B 122 PRO O B 126 PHE H 1.0 . 3.0 146 146 B 122 PRO O B 126 PHE N 1.0 . 4.0 147 147 B 126 PHE H B 123 LEU O 1.0 . 3.0 148 148 B 126 PHE N B 123 LEU O 1.0 . 4.0 149 149 B 123 LEU O B 127 VAL H 1.0 . 3.0 150 150 B 123 LEU O B 127 VAL N 1.0 . 4.0 151 151 B 127 VAL H B 124 ALA O 1.0 . 3.0 152 152 B 127 VAL N B 124 ALA O 1.0 . 4.0 153 153 B 124 ALA O B 128 LYS H 1.0 . 3.0 154 154 B 124 ALA O B 128 LYS N 1.0 . 4.0 155 155 B 128 LYS H B 125 ALA O 1.0 . 3.0 156 156 B 128 LYS N B 125 ALA O 1.0 . 4.0 157 157 B 125 ALA O B 129 LYS H 1.0 . 3.0 158 158 B 125 ALA O B 129 LYS N 1.0 . 4.0 159 159 B 86 ILE H B 99 ASN H 1.0 . 3.2 160 160 B 86 ILE H B 99 ASN O 1.0 . 3.0 161 161 B 99 ASN O B 86 ILE N 1.0 . 4.0 162 162 B 99 ASN H B 86 ILE O 1.0 . 2.0 163 163 B 86 ILE O B 99 ASN N 1.0 . 3.0 164 164 B 87 LEU HA B 98 SER HA 1.0 . 2.4 165 165 B 88 LEU H B 97 TRP H 1.0 . 3.2 166 166 B 88 LEU H B 97 TRP O 1.0 . 2.0 167 167 B 97 TRP O B 88 LEU N 1.0 . 3.0 168 168 B 97 TRP H B 88 LEU O 1.0 . 2.0 169 169 B 88 LEU O B 97 TRP N 1.0 . 3.0 170 170 B 90 ASP H B 94 LYS H 1.0 . 3.2 171 171 B 90 ASP H B 94 LYS O 1.0 . 2.0 172 172 B 94 LYS O B 90 ASP N 1.0 . 3.0 173 173 B 90 ASP H B 96 GLU H 1.0 . 5.5 174 174 B 133 ASP H B 148 VAL H 1.0 . 5.5 175 175 B 134 GLU HA B 147 ILE HA 1.0 . 2.4 176 176 B 135 GLU H B 146 VAL H 1.0 . 3.2 177 177 B 135 GLU H B 146 VAL O 1.0 . 2.0 178 178 B 146 VAL O B 135 GLU N 1.0 . 3.0 179 179 B 146 VAL H B 135 GLU O 1.0 . 2.0 180 180 B 135 GLU O B 146 VAL N 1.0 . 3.0 181 181 B 136 ILE HA B 145 LYS HA 1.0 . 2.4 182 182 B 137 ILE H B 144 LEU H 1.0 . 3.2 183 183 B 137 ILE H B 144 LEU O 1.0 . 2.0 184 184 B 144 LEU O B 137 ILE N 1.0 . 3.0 185 185 B 144 LEU H B 137 ILE O 1.0 . 2.0 186 186 B 137 ILE O B 144 LEU N 1.0 . 3.0 187 187 B 138 GLU HA B 143 GLN HA 1.0 . 2.4 188 188 B 139 LEU H B 142 LYS H 1.0 . 3.2 189 189 B 139 LEU H B 142 LYS O 1.0 . 2.0 190 190 B 142 LYS O B 139 LEU N 1.0 . 3.0 191 191 B 142 LYS H B 139 LEU O 1.0 . 2.0 192 192 B 139 LEU O B 142 LYS N 1.0 . 3.0 193 193 B 143 GLN H B 160 VAL H 1.0 . 3.2 194 194 B 143 GLN H B 160 VAL O 1.0 . 2.0 195 195 B 160 VAL O B 143 GLN N 1.0 . 3.0 196 196 B 160 VAL H B 143 GLN O 1.0 . 2.0 197 197 B 143 GLN O B 160 VAL N 1.0 . 3.0 198 198 B 144 LEU H B 160 VAL H 1.0 . 5.5 199 199 B 144 LEU HA B 159 ASP HA 1.0 . 2.4 200 200 B 145 LYS H B 158 PHE H 1.0 . 3.2 201 201 B 145 LYS H B 158 PHE O 1.0 . 2.0 202 202 B 158 PHE O B 145 LYS N 1.0 . 3.0 203 203 B 158 PHE H B 145 LYS O 1.0 . 2.0 204 204 B 145 LYS O B 158 PHE N 1.0 . 3.0 205 205 B 146 VAL HA B 157 PHE HA 1.0 . 2.4 206 206 B 147 ILE H B 156 TYR H 1.0 . 3.2 207 207 B 147 ILE H B 156 TYR O 1.0 . 2.0 208 208 B 156 TYR O B 147 ILE N 1.0 . 3.0 209 209 B 156 TYR H B 147 ILE O 1.0 . 2.0 210 210 B 147 ILE O B 156 TYR N 1.0 . 3.0 211 211 B 148 VAL HA B 155 LEU HA 1.0 . 2.4 212 212 B 149 HIS H B 155 LEU H 1.0 . 5.5 213 213 B 156 TYR HA B 88 LEU HA 1.0 . 5.5 214 214 B 157 PHE H B 87 LEU H 1.0 . 3.2 215 215 B 157 PHE H B 87 LEU O 1.0 . 2.0 216 216 B 87 LEU O B 157 PHE N 1.0 . 3.0 217 217 B 87 LEU H B 157 PHE O 1.0 . 2.0 218 218 B 157 PHE O B 87 LEU N 1.0 . 3.0 219 219 B 158 PHE HA B 86 ILE HA 1.0 . 5.5 220 220 B 159 ASP H B 84 ILE H 1.0 . 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . save_